7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine

C20H21N5O3 — CID 78012243

IUPAC7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NCC3CNCCO3)nc(-c3ccc4c(c3)OCCO4)cc2n1
InChIInChI=1S/C20H21N5O3/c1-2-17-18(28-8-7-27-17)9-13(1)15-10-16-19(23-4-3-22-16)20(25-15)24-12-14-11-21-5-6-26-14/h1-4,9-10,14,21H,5-8,11-12H2,(H,24,25)
InChIKeyBCDFYTMXTCMQEF-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.86
Rot. Bonds4

About 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine

7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 78012243) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID78012243
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NCC3CNCCO3)nc(-c3ccc4c(c3)OCCO4)cc2n1
InChIInChI=1S/C20H21N5O3/c1-2-17-18(28-8-7-27-17)9-13(1)15-10-16-19(23-4-3-22-16)20(25-15)24-12-14-11-21-5-6-26-14/h1-4,9-10,14,21H,5-8,11-12H2,(H,24,25)
InChIKeyBCDFYTMXTCMQEF-UHFFFAOYSA-N
XLogP1.86
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113421
N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 163569241
7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane
CID 157239084
3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol
CID 141437407
7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane
CID 157227299
N-(morpholin-2-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride
CID 66555381
2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile
CID 71113373
N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012349
1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone
CID 71113562
N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113426
7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113777
4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide
CID 123215299

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (CID 78012243) is 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is c1cnc2c(NCC3CNCCO3)nc(-c3ccc4c(c3)OCCO4)cc2n1.
What is the InChIKey of 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is BCDFYTMXTCMQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-2-17-18(28-8-7-27-17)9-13(1)15-10-16-19(23-4-3-22-16)20(25-15)24-12-14-11-21-5-6-26-14/h1-4,9-10,14,21H,5-8,11-12H2,(H,24,25).
What are the key properties of 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 379.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 78012243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).